SCHEMBL13240776

SCHEMBL13240776

NC(CC1CCCCC1)P(=O)(O)C/C(=C\c1ccc(F)c(Br)c1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPEP1 P16444 10/20 1.00
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
IDO1 P14902 3/20 0.34
TDO2 P48775 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
GRIK1 P39086 1/20 0.31
HPGD P15428 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13240771 1.00 DPEP1 (1.00) DPEP1NPC1RAB9ATDP1IDO1
SCHEMBL13240770 0.89 DPEP1 (1.00) DPEP1NPC1RAB9AGRIK1
SCHEMBL13240773 0.89 DPEP1 (1.00) DPEP1NPC1RAB9AGRIK1
SCHEMBL13241006 0.86 DPEP1 (1.00) DPEP1NPC1RAB9AHDAC3HDAC1
SCHEMBL13241009 0.86 DPEP1 (1.00) DPEP1NPC1RAB9AHDAC3HDAC1
SCHEMBL13241007 0.86 DPEP1 (1.00) DPEP1RAB9AGRIK1
SCHEMBL13241008 0.86 DPEP1 (1.00) DPEP1RAB9AGRIK1
SCHEMBL13240775 0.83 DPEP1 (1.00) DPEP1GRIK1HPGD
SCHEMBL13241013 0.80 DPEP1 (1.00) DPEP1
SCHEMBL13241012 0.80 DPEP1 (1.00) DPEP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7785564-B2 an enzyme overexpressed in benign and malignant colon tumors; Aminophosphinic acid derivatives used therapeutically and diagnostically for treatment and detection of tumors THE JOHNS HOPKINS UNIVERSITY (US) 2010-08-31 US disclosed